甲基丙烯腈
TL;DR: 甲基丙烯腈 (CAS 126-98-7) is a chemical compound with molecular formula C4H5N and molecular weight 67.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲基丙烯腈
2-methylprop-2-enenitrile
Also Known As: Methacrylonitrile, Isopropene cyanide, Isopropenylnitrile, 2-Methylacrylonitrile, 2-Cyanopropene
| Molecular Formula | C4H5N |
|---|---|
| Molecular Weight | 67.04 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 67.0422 |
| Heavy Atoms | 5 |
| Complexity | 83.0 |
| Melting Point | -35.8 °C |
| Boiling Point | 90.0 °C at 760 mmHg |
| Density | 0.8001 at 20.0 °C - Less dense than water; will float |
| Solubility | 10 to 50 mg/mL at 72 °F (NTP, 1992) |
| Flash Point | 12.8 °C |
| Vapor Pressure | 40 mmHg at 12.8 °C |
| Refractive Index | 1.4007 @ 20 °C; 1.3954 @ 30 °C |
Chemical Identifiers
| CAS Number | 126-98-7 |
|---|---|
| SMILES | CC(=C)C#N |
| InChIKey | GYCMBHHDWRMZGG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲基丙烯腈 (CAS 126-98-7), with molecular formula C4H5N and molecular weight 67.04 g/mol. IUPAC: 2-methylprop-2-enenitrile.
Chemical Property Profile of 甲基丙烯腈
Property Insights of 甲基丙烯腈
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲基丙烯腈. With a topological polar surface area (TPSA) of 23.8 Ų, 甲基丙烯腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 甲基丙烯腈 has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 甲基丙烯腈?
The CAS number of 甲基丙烯腈 is 126-98-7.
What is the molecular formula of 甲基丙烯腈?
The molecular formula of 甲基丙烯腈 is C4H5N.
What is the molecular weight of 甲基丙烯腈?
The molecular weight of 甲基丙烯腈 is 67.04 g/mol.
Where can I buy 甲基丙烯腈?
You can request a quote for 甲基丙烯腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲基丙烯腈?
Yes, KEHONG BIO provides custom synthesis services for 甲基丙烯腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.